Glycoside
GD116646
Name:
NoneFormula:
C34H37O12N3Smiles:
CC(C)C(CNCC1(O)C(Oc2ccc3c(=O)c(-c4ccc(O)cc4)c(C(N)=O)oc3c2)OC(C(=O)O)C(O)C1(O)C=O)Cc1cc[nH]c1Aglycone:
CNCC(Cc1cc[nH]c1)C(C)C.NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1Sugarmoiety:
O=CC1(O)C(O)C(C(=O)O)OC(O)C1(O)OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.35 |
| AlogP: | 0.91 | Num_rotatable_bonds: | 13 |
| MolWt: | 679.68 | Num_heavy_atoms: | 49 |
| TPSA: | 254.87 | NumAromaticRings: | 4 |
Unique Aglycone
AD46349
Formula: C16H11O5N
Smiles:
NC(=O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(O)cc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 1.97 | Num_rotatable_bonds: | 2 |
| MolWt: | 297.27 | Num_heavy_atoms: | 22 |
| TPSA: | 113.76 | NumAromaticRings: | 3 |
AD46363
Formula: C11H20N2
Smiles:
CNCC(Cc1cc[nH]c1)C(C)C| HBA: | 2 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.64 |
| AlogP: | 2.05 | Num_rotatable_bonds: | 5 |
| MolWt: | 180.29 | Num_heavy_atoms: | 13 |
| TPSA: | 27.82 | NumAromaticRings: | 1 |
